N-Acetoxyphenacetin
TL;DR: N-Acetoxyphenacetin (CAS 31386-38-6) is a chemical compound with molecular formula C12H15NO4 and molecular weight 237.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(N-acetyl-4-ethoxyanilino) acetate
Also Known As: N-Acetoxyphenacetin, Xysmalorin, ACETOXYPHENACETIN, N-, (N-acetyl-4-ethoxyanilino) acetate, Hydroxylamine, N,O-diacetyl-N-(p-ethoxyphenyl)-
| Molecular Formula | C12H15NO4 |
|---|---|
| Molecular Weight | 237.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 237.10011 |
| Heavy Atoms | 17 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 31386-38-6 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N(C(=O)C)OC(=O)C |
| InChIKey | AAXXXGXIWSJELC-UHFFFAOYSA-N |
Product Overview
N-Acetoxyphenacetin (CAS 31386-38-6), with molecular formula C12H15NO4 and molecular weight 237.10 g/mol. IUPAC: (N-acetyl-4-ethoxyanilino) acetate.
Chemical Property Profile of N-Acetoxyphenacetin
Property Insights of N-Acetoxyphenacetin
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Acetoxyphenacetin. With a topological polar surface area (TPSA) of 55.8 Ų, N-Acetoxyphenacetin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Acetoxyphenacetin has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Acetoxyphenacetin?
The CAS number of N-Acetoxyphenacetin is 31386-38-6.
What is the molecular formula of N-Acetoxyphenacetin?
The molecular formula of N-Acetoxyphenacetin is C12H15NO4.
What is the molecular weight of N-Acetoxyphenacetin?
The molecular weight of N-Acetoxyphenacetin is 237.10 g/mol.
Where can I buy N-Acetoxyphenacetin?
You can request a quote for N-Acetoxyphenacetin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Acetoxyphenacetin?
Yes, KEHONG BIO provides custom synthesis services for N-Acetoxyphenacetin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.